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Title: Materials Data on Mn(PO4)2 by Materials Project

Abstract

Mn(PO4)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Mn(PO4)2 sheet oriented in the (0, 1, 1) direction. there are two inequivalent Mn7+ sites. In the first Mn7+ site, Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.76–2.12 Å. In the second Mn7+ site, Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.75–2.11 Å. There are four inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the second P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the third P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the fourth P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are amore » spread of P–O bond distances ranging from 1.47–1.51 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom.« less

Publication Date:
Other Number(s):
mp-1180525
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn(PO4)2; Mn-O-P
OSTI Identifier:
1744656
DOI:
https://doi.org/10.17188/1744656

Citation Formats

The Materials Project. Materials Data on Mn(PO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744656.
The Materials Project. Materials Data on Mn(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1744656
The Materials Project. 2020. "Materials Data on Mn(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1744656. https://www.osti.gov/servlets/purl/1744656. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744656,
title = {Materials Data on Mn(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(PO4)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Mn(PO4)2 sheet oriented in the (0, 1, 1) direction. there are two inequivalent Mn7+ sites. In the first Mn7+ site, Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.76–2.12 Å. In the second Mn7+ site, Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.75–2.11 Å. There are four inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the second P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the third P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the fourth P+4.50+ site, P+4.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P+4.50+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom.},
doi = {10.17188/1744656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}